SCHEMBL1309983

SCHEMBL1309983

O=C1CCCC1CNCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.44
HTR2C P28335 1/20 0.44
MAN1B1 Q9UKM7 1/20 0.43
HTR2A P28223 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
DPP7 Q9UHL4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7715057 0.95 KDM4E (0.48) CXCR4HTR2CMAN1B1HTR2APOLB
Hydrochloric Acid SCHEMBL11228414 0.83 ALDH1A1 (0.47) HTR2ADPP7ALDH1A1
SCHEMBL12401336 0.80 KDM4E (0.52) KDM4EDPP7MEN1KMT2ATDP1
SCHEMBL4868685 0.80 ALDH1A1 (0.50) HTR2AKDM4EDPP7NPC1RAB9A
Hydrochloric Acid SCHEMBL11225381 0.79 ALDH1A1 (0.49) HTR2AKDM4EDPP7NPC1RAB9A
SCHEMBL23023008 0.78 HTR2A (0.55) HTR2AALDH1A1
SCHEMBL793526 0.78 PTGS2 (0.59) KDM4EKMT2APSEN1PSEN2APH1B
SCHEMBL29169544 0.78 PTGS2 (0.59) KDM4EKMT2APSEN1PSEN2APH1B
SCHEMBL23056654 0.78 PTGS2 (0.59) KDM4EKMT2APSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL23004822 0.77 HTR2A (0.54) HTR2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846125-B2 Enaminocarbonyl compounds and their use INSTYTUT CHEMII ORGANICZNEJ, POLSKA AKADEMIA NAUK (PL) 2014-09-30 US disclosed
CN-102203073-B Enaminocarbonyl compounds and their use INST CHEMII ORGANICZNEJ POLSKA 2014-06-25 CN disclosed
EP-2391614-B1 ENAMINOCARBONYL COMPOUNDS AND THEIR USE INST CHEMII ORGANICZNEJ POLSKA AKADEMIA NAUK (PL) 2013-05-29 EP disclosed
EP-2391614-A1 ENAMINOCARBONYL COMPOUNDS AND THEIR USE Instytut Chemii Organicznej, Polska Akademia Nauk (PL) 2011-12-07 EP disclosed
US-20110274803-A1 ENAMINOCARBONYL COMPOUNDS AND THEIR USE INSTYTUT CHEMII ORGANICZNEJ, POLSKA AKADEMIA NAUK (PL) 2011-11-10 US disclosed
CN-102203073-A Enaminocarbonyl compounds and their use INST CHEMII ORGANICZNEJ POLSKA 2011-09-28 CN disclosed
WO-2010087727-A1 ENAMINOCARBONYL COMPOUNDS AND THEIR USE INSTYTUT CHEMII ORGANICZNEJ, POLSKA AKADEMIA NAUK (PL) 2010-08-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110274803-A1 ENAMINOCARBONYL COMPOUNDS AND THEIR USE TAS2R42, TAS2R41, TAS2R1 CXCR4 60/4885HTR2C 174/4885MAN1B1 934/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.